SCHEMBL3842872

SCHEMBL3842872

Cc1cc(C)c2cc(C(=O)N3CCC(C(=O)O)CC3)[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.73
MAPT P10636 1/20 0.67
KMT2A Q03164 3/20 0.55
MGLL Q99685 1/20 0.53
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
AKR1C3 P42330 2/20 0.45
HRH4 Q9H3N8 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ATM Q13315 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3847136 0.85 POLB (1.00) POLBMAPTKMT2AMGLLRAB9A
SCHEMBL17209560 0.83 POLB (0.64) POLBMAPTKMT2AMGLLRAB9A
SCHEMBL3850746 0.82 POLB (1.00) POLBMAPTKMT2AMGLLMEN1
SCHEMBL5003022 0.80 POLB (0.58) POLBMAPTKMT2AMGLLRAB9A
SCHEMBL1761165 0.73 NPC1 (0.61) POLBMAPTRAB9ANPC1GRIN1
SCHEMBL29784177 0.73 NPC1 (0.61) POLBMAPTRAB9ANPC1GRIN1
SCHEMBL12803717 0.73 AKR1C3 (0.67) POLBAKR1C3HRH4
SCHEMBL20989185 0.72 MAPT (0.63) POLBMAPTMGLLGRIN2DGRIN3B
SCHEMBL1494693 0.72 HRH4 (0.67) POLBMAPTKMT2ARAB9ANPC1
SCHEMBL20897918 0.70 MGLL (1.00) MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773880-A4 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-09-09 EP disclosed
EP-1773880-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE Novartis Vaccines and Diagnostics, Inc. (US) 2007-04-18 EP disclosed
WO-2005121175-A9 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CHIRON CORP (US) 2006-03-16 WO disclosed
WO-2005121175-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-22 WO disclosed